3-[p-(Hexyloxy)phenyl]propionic acid

Base Information

• Chemical Name: 3-[p-(Hexyloxy)phenyl]propionic acid
• CAS No.: 25131-98-0
• Molecular Formula: C15H22 O3
• Molecular Weight: 250.338
• European Community (EC) Number: 246-642-7
• DSSTox Substance ID: DTXSID70947993
• Nikkaji Number: J236.063B
• Wikidata: Q82925796
• Mol file: 25131-98-0.mol

Synonyms:25131-98-0;3-[p-(hexyloxy)phenyl]propionic acid;3-(4-(HEXYLOXY)PHENYL)PROPANOIC ACID;3-(4-hexoxyphenyl)propanoic acid;3-(p-(Hexyloxy)phenyl)propionic acid;EINECS 246-642-7;3-[4-(HEXYLOXY)PHENYL]PROPANOIC ACID;3-(4-n-hexyloxyphenyl)propanoic acid;4-Hexyloxybenzenepropanoic acid;SCHEMBL3488457;DTXSID70947993;3-(4-hexyloxyphenyl)propionic acid;MFCD06823984;AKOS024137403;3-(4-(HEXYLOXY)PHENYL)PROPANOICACID;A50648

Chemical Property of 3-[p-(Hexyloxy)phenyl]propionic acid

Chemical Property:

• Vapor Pressure: 1.21E-06mmHg at 25°C
• Boiling Point: 385.9°Cat760mmHg
• Flash Point: 137.6°C
• PSA: 46.53000
• Density: 1.043g/cm³
• LogP: 3.66290
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 220

Purity/Quality:

98%Min ^*data from raw suppliers

3-[p-(Hexyloxy)phenyl]propionicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)CCC(=O)O

Technology Process of 3-[p-(Hexyloxy)phenyl]propionic acid

There total 4 articles about 3-[p-(Hexyloxy)phenyl]propionic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

1-bromo-hexane (111-25-1) + 4-hydroxyphenylpropionic acid (501-97-3) → 3-(4-n-hexyloxyphenyl)propanoic acid (25131-98-0)

Guidance literature:

With sodium hydroxide; In methanol; at 50 ℃;

DOI:10.1016/S0957-4166(01)00083-0

Reference yield:

C16H24O3 (208538-32-3) → 3-(4-n-hexyloxyphenyl)propanoic acid (25131-98-0)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃; for 12h;

DOI:10.1021/jm800649q

Reference yield:

3-(4-hydroxyphenyl)propionic acid methyl ester (5597-50-2) → 3-(4-n-hexyloxyphenyl)propanoic acid (25131-98-0)

Guidance literature:

Yield given. Multistep reaction;

upstream raw materials:

3-(4-hydroxyphenyl)propionic acid methyl ester

1-bromo-hexane

4-hydroxyphenylpropionic acid

C₁₆H₂₄O₃

Downstream raw materials:

3-(4-Hexyloxy-phenyl)-propionamide

vinyl 3-(4-n-hexyloxyphenyl)propanoate

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